COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK583251
Chemical Name: (1E,2E)-1-{2-(4-methylphenyl)-1-[3-(morpholin-4-ium-4-yl)propyl]-4,5-dioxopyrrolidin-3-ylidene}-3-phenylprop-2-en-1-olate
Smiles: Cc1ccc(cc1)C1/C(=C(/C=C/c2ccccc2)\[O-])/C(=O)C(=O)N1CCC[NH+]1CCOCC1

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Molecular Weight: 446.55
Empirical Formula: C27H30N2O4

Physical State: Dry powder
Available Amount: 311 mg

Lipinsky:
logP: 3.302
Rotatable bonds: 5
H-donors: 1
H-acceptors: 4
PSA: 74
Number of rings: 4

     

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